[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine

C12H20N2O — CID 62428192

IUPAC[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCc1oc(CN2CCC(C)C2)cc1CN
InChIInChI=1S/C12H20N2O/c1-9-3-4-14(7-9)8-12-5-11(6-13)10(2)15-12/h5,9H,3-4,6-8,13H2,1-2H3
InChIKeyJGQQZKNHNLIXQZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.89
Rot. Bonds3

About [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine

[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine (PubChem CID 62428192) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
PubChem CID62428192
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
SMILESCc1oc(CN2CCC(C)C2)cc1CN
InChIInChI=1S/C12H20N2O/c1-9-3-4-14(7-9)8-12-5-11(6-13)10(2)15-12/h5,9H,3-4,6-8,13H2,1-2H3
InChIKeyJGQQZKNHNLIXQZ-UHFFFAOYSA-N
XLogP1.89
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylfuran-3-yl]methanamine
CID 64581199
[5-[(2-ethylmorpholin-4-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62434083
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62427660
[5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 103539992
N-[[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55074153
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62424178
[5-methyl-4-[(2-methylmorpholin-4-yl)methyl]furan-2-yl]methanamine
CID 62439115
3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572859
[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62417803
1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 86880416
N-methyl-1-[2-methyl-5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 63167944

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine (CID 62428192) is [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine is Cc1oc(CN2CCC(C)C2)cc1CN.
What is the InChIKey of [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
The InChIKey is JGQQZKNHNLIXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-3-4-14(7-9)8-12-5-11(6-13)10(2)15-12/h5,9H,3-4,6-8,13H2,1-2H3.
What are the key properties of [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine?
[2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine has a molecular weight of 208.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62428192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).